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Patent code US9656975

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate Receptor


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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US Patent
27n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m0/s1
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35n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1
Show InChI InChI=1S/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/m1/s1
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39n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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65n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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78n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141504
PNG
(US8921370, 36 | US9656975, 36)
Show SMILES Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Show InChI InChI=1S/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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280n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141503
PNG
(US8921370, 15 | US9656975, 15)
Show SMILES Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
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340n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141510
PNG
(US8921370, 178 | US9656975, 178)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Show InChI InChI=1S/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
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370n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141509
PNG
(US8921370, 176 | US9656975, 176)
Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)
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500n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141507
PNG
(US8921370, 161 | US9656975, 161)
Show SMILES Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1
Show InChI InChI=1S/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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n/an/a 3.70n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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n/an/a 4.70n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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n/an/a 9n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141503
PNG
(US8921370, 15 | US9656975, 15)
Show SMILES Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 26n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141509
PNG
(US8921370, 176 | US9656975, 176)
Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141504
PNG
(US8921370, 36 | US9656975, 36)
Show SMILES Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Show InChI InChI=1S/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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n/an/a 35n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141510
PNG
(US8921370, 178 | US9656975, 178)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Show InChI InChI=1S/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
PDB
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n/an/a 38n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141507
PNG
(US8921370, 161 | US9656975, 161)
Show SMILES Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/m1/s1
PDB
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n/an/a 134n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that ...


US Patent US9656975 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%